1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one

C26H30N4O — CID 155515890

IUPAC1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H30N4O/c31-26-22-11-7-9-21-10-8-12-23(25(21)22)30(26)16-6-2-1-5-15-28-17-19-29(20-18-28)24-13-3-4-14-27-24/h3-4,7-14H,1-2,5-6,15-20H2
InChIKeyCIQZMHMOCHBPHK-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.58
Rot. Bonds8

About 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one

1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one (PubChem CID 155515890) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
PubChem CID155515890
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H30N4O/c31-26-22-11-7-9-21-10-8-12-23(25(21)22)30(26)16-6-2-1-5-15-28-17-19-29(20-18-28)24-13-3-4-14-27-24/h3-4,7-14H,1-2,5-6,15-20H2
InChIKeyCIQZMHMOCHBPHK-UHFFFAOYSA-N
XLogP4.58
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gsk2816126
CID 68210102
4-[(3-{[4-(Pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132613
2-Ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470737
2-Ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470740
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
CID 10278414
(13E)-8-methyl-21-(6-piperazin-1-yl-3-pyridinyl)-18-propan-2-yl-3,7,18-triazatetracyclo[14.6.1.05,10.019,23]tricosa-1(23),5(10),8,13,16,19,21-heptaene-2,6-dione
CID 91884579
1-(4-Chlorobenzoyl)-2,3-dihydro8-(4-methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 44404225
[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
CID 44404241
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
4-[6-[(6-Cyclopropyl-3-pyridinyl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
CID 155298316
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
CID 44526802
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one (CID 155515890) is 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
The InChIKey is CIQZMHMOCHBPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c31-26-22-11-7-9-21-10-8-12-23(25(21)22)30(26)16-6-2-1-5-15-28-17-19-29(20-18-28)24-13-3-4-14-27-24/h3-4,7-14H,1-2,5-6,15-20H2.
What are the key properties of 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one?
1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one has a molecular weight of 414.55 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one is sourced from PubChem (CID 155515890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).